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10230-61-2

卢丁二硫醇(10230-61-2)红外图谱(IR1)

产品名称:卢丁二硫醇

CAS:10230-61-2

分子式:C10H14S2

分子量: 198.35

InChI:InChI=1S/C10H14S2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-4,11-12H,5-6H2,1-2H3

InChIKey: NNGQXIUDFKIVKI-UHFFFAOYSA-N

Smiles:C1(CS)=CC(C)=C(C)C=C1CS

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    Mass

    MS-IW-0716          
    (4,5-dimethyl-o-phenylene)bis(methanethiol)
    C10H14S2            (Mass of molecular ion:    198)
    

       Source Temperature: 240 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       1.1
          32.0       1.2
          33.0       1.8
          34.0       6.1
          39.0       3.5
          41.0       2.3
          45.0       4.4
          51.0       3.0
          53.0       1.5
          63.0       2.1
          64.0       1.6
          65.0       2.9
          67.0       1.8
          73.0       1.1
          74.0       1.7
          75.0       1.4
          77.0       4.5
          78.0       1.4
          79.0       2.6
          80.0       1.5
          81.0       3.4
          89.0       1.3
          91.0      11.2
          92.0       1.1
         102.0       1.0
         103.0       2.7
         104.0       1.0
         105.0       5.4
         107.0       1.8
         115.0      11.4
         116.0       4.3
         117.0      15.7
         118.0       2.6
         119.0     100.0
         120.0      10.1
         121.0       3.8
         128.0       2.8
         129.0       2.5
         131.0       4.2
         132.0      22.8
         133.0       6.6
         134.0       5.8
         135.0       1.9
         147.0      10.6
         148.0      16.0
         149.0      43.6
         150.0       5.6
         151.0       7.5
         152.0       1.6
         161.0       2.4
         162.0       4.3
         163.0      46.7
         164.0      96.7
         165.0      16.1
         166.0       5.9
         196.0       4.5
         198.0       2.5
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C10 H14 S2 0.037 g : 0.5 ml DMSO-d6
    (4,5-dimethyl-o-phenylene)bis(methanethiol)
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.048 B 3.755 C 2.783 D 2.159

         Hz     ppm     Int.
    

       2817.02   7.049    292
       1504.52   3.765    339
       1497.31   3.747    356
       1119.38   2.801    133
       1112.18   2.783    305
       1104.98   2.765    124
        863.16   2.160   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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